ethyl 2-[5-[2-[4-(aminomethyl)phenyl]phenyl]-1-pentanoyl-1,2,3,4-tetrazol-1-ium-1-yl]cyclohexane-1-carboxylate

Systemtic Name: ethyl 2-[5-[2-[4-(aminomethyl)phenyl]phenyl]-1-pentanoyl-1,2,3,4-tetrazol-1-ium-1-yl]cyclohexane-1-carboxylate Openeye Name: ethyl 2-[5-[2-[4-(aminomethyl)phenyl]phenyl]-1-pentanoyl-tetrazol-1-ium-1-yl]cyclohexanecarboxylate CAS Name: 2-[5-[2-[4-(aminomethyl)phenyl]phenyl]-1-(1-oxopentyl)-1-tetrazol-1-iumyl]-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[5-[2-[4-(aminomethyl)phenyl]phenyl]-1-pentanoyltetrazol-1-ium-1-yl]cyclohexane-1-carboxylate Traditional Name: 2-[5-[2-[4-(aminomethyl)phenyl]phenyl]-1-valeryl-tetrazol-1-ium-1-yl]cyclohexanecarboxylic acid ethyl ester Formula: C28H36N5O3+ MolecularWeight: 490.61714

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)[N+]1(C(=NN=N1)C2=CC=CC=C2C3=CC=C(C=C3)CN)C4CCCCC4C(=O)OCC

Isomeric SMILES

CCCCC(=O)[N+]1(C(=NN=N1)C2=CC=CC=C2C3=CC=C(C=C3)CN)C4CCCCC4C(=O)OCC

InChI

InChI=1S/C28H36N5O3/c1-3-5-14-26(34)33(25-13-9-8-12-24(25)28(35)36-4-2)27(30-31-32-33)23-11-7-6-10-22(23)21-17-15-20(19-29)16-18-21/h6-7,10-11,15-18,24-25H,3-5,8-9,12-14,19,29H2,1-2H3/q+1